N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide

C19H19ClN2O4 — CID 55620019

IUPACN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1
InChIInChI=1S/C19H19ClN2O4/c1-11(2)9-25-13-5-3-4-12(6-13)19(24)22-15-8-17-16(7-14(15)20)21-18(23)10-26-17/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySNILXXMWCYZXEV-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.96
Rot. Bonds5

About N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 55620019) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
PubChem CID55620019
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1
InChIInChI=1S/C19H19ClN2O4/c1-11(2)9-25-13-5-3-4-12(6-13)19(24)22-15-8-17-16(7-14(15)20)21-18(23)10-26-17/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySNILXXMWCYZXEV-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 33017501
methyl 3-[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]ethoxy]benzoate
CID 38112399
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
CID 806873
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
CID 119421096
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 43064268

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide (CID 55620019) is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1.
What is the InChIKey of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is SNILXXMWCYZXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11(2)9-25-13-5-3-4-12(6-13)19(24)22-15-8-17-16(7-14(15)20)21-18(23)10-26-17/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide?
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 374.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 55620019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).